Daclatasvir dihydrochloride

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MedKoo CAT#: 314245

CAS#: 1009119-65-6 (HCl)

Description: Daclatasvir (USAN), also known as BMS-790052 and EBP-883 (trade name Daklinza), is NS5A inhibitor and a drug for the treatment of hepatitis C (HCV). It is was developed by Bristol-Myers Squibb and was approved in Europe on 22 August 2014. Daclatasvir inhibits the HCV nonstructural protein NS5A. Recent research suggests that it targets two steps of the viral replication process, enabling rapid decline of HCV RNA. Daclatasvir has been tested in combination regimens with pegylated interferon and ribavirin, as well as with other direct-acting antiviral agents including asunaprevir and sofosbuvir.

Chemical Structure

Daclatasvir dihydrochloride
CAS# 1009119-65-6 (HCl)

Theoretical Analysis

MedKoo Cat#: 314245
Name: Daclatasvir dihydrochloride
CAS#: 1009119-65-6 (HCl)
Chemical Formula: C40H50N8O6
Exact Mass: 738.38533
Molecular Weight: 738.88
Elemental Analysis: C, 65.02; H, 6.82; N, 15.17; O, 12.99

Price and Availability

Size Price Availability Quantity
500.0mg USD 150.0 Same day
1.0g USD 250.0 Same day
2.0g USD 450.0 Same day
5.0g USD 650.0 Same day
10.0g USD 1250.0 Same day
20.0g USD 1950.0 Same day
50.0g USD 2450.0 2 Weeks
100.0g USD 3450.0 2 Weeks
500.0g USD 4650.0 2 Weeks
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Related CAS #: 1009119-65-6 (HCl)   1009119-64-5 (free base)  

Synonym: Daclatasvir HCl; Daclatasvir 2HCl; BMS790052; BMS 790052; BMS-790052; EBP883; EBP 883; EBP-883; Daclatasvir dihydrochloride; trade name Daklinza.

IUPAC/Chemical Name: methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate dihydrochloride


InChi Code: InChI=1S/C40H50N8O6.2ClH/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6;;/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52);2*1H/t31-,32-,33-,34-;;/m0../s1

SMILES Code: O=C(OC)N[C@@H](C(C)C)C(N1[C@H](C2=NC=C(C3=CC=C(C4=CC=C(C5=CN=C([C@H]6N(C([C@@H](NC(OC)=O)C(C)C)=O)CCC6)N5)C=C4)C=C3)N2)CCC1)=O.[H]Cl.[H]Cl

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO.

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 738.88 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: LiverTox: Clinical and Research Information on Drug-Induced Liver Injury [Internet]. Bethesda (MD): National Institute of Diabetes and Digestive and Kidney Diseases; 2012-. Available from http://www.ncbi.nlm.nih.gov/books/NBK547875/ PubMed PMID: 31643211.

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10: Shimada M, Nakamura N, Endo T, Yamabe H, Nakamura M, Murakami R, Narita I, Tomita H. Daclatasvir/asunaprevir based direct-acting antiviral therapy ameliorate hepatitis C virus-associated cryoglobulinemic membranoproliferative glomerulonephritis: a case report. BMC Nephrol. 2017 Mar 29;18(1):109. doi: 10.1186/s12882-017-0534-5. Review. PubMed PMID: 28356063; PubMed Central PMCID: PMC5372252.

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12: Gamal N, Gitto S, Andreone P. Efficacy and Safety of Daclatasvir in Hepatitis C: An Overview. J Clin Transl Hepatol. 2016 Dec 28;4(4):336-344. doi: 10.14218/JCTH.2016.00038. Epub 2016 Nov 3. Review. PubMed PMID: 28097103; PubMed Central PMCID: PMC5225154.

13: Liao H, Tan P, Zhu Z, Yan X, Huang J. Sofosbuvir in combination with daclatasvir in liver transplant recipients with HCV infection: A systematic review and meta-analysis. Clin Res Hepatol Gastroenterol. 2017 Jun;41(3):262-271. doi: 10.1016/j.clinre.2016.12.001. Epub 2017 Jan 9. Review. PubMed PMID: 28082137.

14: Hayes CN, Imamura M, Chayama K. The practical management of chronic hepatitis C infection in Japan - dual therapy of daclatasvir + asunaprevir. Expert Rev Gastroenterol Hepatol. 2017 Feb;11(2):103-113. doi: 10.1080/17474124.2017.1270205. Epub 2016 Dec 16. Review. PubMed PMID: 27936974.

15: Alavian SM, Rezaee-Zavareh MS. Daclatasvir-based Treatment Regimens for Hepatitis C Virus Infection: A Systematic Review and Meta-Analysis. Hepat Mon. 2016 Aug 22;16(9):e41077. eCollection 2016 Sep. Review. PubMed PMID: 27826322; PubMed Central PMCID: PMC5097339.

16: Garimella T, You X, Wang R, Huang SP, Kandoussi H, Bifano M, Bertz R, Eley T. A Review of Daclatasvir Drug-Drug Interactions. Adv Ther. 2016 Nov;33(11):1867-1884. Epub 2016 Sep 23. Review. PubMed PMID: 27664109; PubMed Central PMCID: PMC5083780.

17: Peng Q, Li K, Cao MR, Bie CQ, Tang HJ, Tang SH. Daclatasvir combined with peginterferon-α and ribavirin for the treatment of chronic hepatitis C: a meta-analysis. Springerplus. 2016 Sep 15;5(1):1569. doi: 10.1186/s40064-016-3218-x. eCollection 2016. Review. PubMed PMID: 27652142; PubMed Central PMCID: PMC5023653.

18: Wang HL, Lu X, Yang X, Xu N. Effectiveness and safety of daclatasvir plus asunaprevir for hepatitis C virus genotype 1b: Systematic review and meta-analysis. J Gastroenterol Hepatol. 2017 Jan;32(1):45-52. doi: 10.1111/jgh.13587. Review. PubMed PMID: 27597318.

19: Keating GM. Daclatasvir: A Review in Chronic Hepatitis C. Drugs. 2016 Sep;76(14):1381-91. doi: 10.1007/s40265-016-0632-x. Review. PubMed PMID: 27550544.

20: Manolakopoulos S, Zacharakis G, Zissis M, Giannakopoulos V. Safety and efficacy of daclatasvir in the management of patients with chronic hepatitis C. Ann Gastroenterol. 2016 Jul-Sep;29(3):282-96. doi: 10.20524/aog.2016.0041. Epub 2016 May 11. Review. PubMed PMID: 27366028; PubMed Central PMCID: PMC4923813.